SCHEMBL29199299

SCHEMBL29199299

O=CNOc1ccc2c(c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
ALDH1A1 P00352 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MAPK1 P28482 3/20 0.43
ELANE P08246 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CDC25B P30305 1/20 0.41
BCL2 P10415 1/20 0.41
MCL1 Q07820 1/20 0.41
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
PLA2G1B P04054 2/20 0.40
ATG4B Q9Y4P1 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5060829 0.77 NPC1 (0.47) NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1
SCHEMBL10489419 0.75 MEN1 (0.55) NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1
SCHEMBL28104722 0.74 CYP1A2 (0.47) RAB9AMAPK1TDP1MEN1KMT2A
SCHEMBL28185341 0.73 TTR (0.52) NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1
2-Methoxyanthraquinone SCHEMBL222927 0.72 PTPN1 (0.60) NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1
SCHEMBL55401 0.71 TSHR (0.44) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL2267225 0.71 MAOA (0.62) NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1
SCHEMBL4645032 0.71 PTPN1 (0.58) NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1
SCHEMBL10613734 0.69 MAOA (0.61) NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1
SCHEMBL27485979 0.69 NPC1 (0.47) NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117943198-A Flotation process for enriching titanium from vanadium titano-magnetite tailings 西昌学院 2024-04-30 CN claimed
CN-117943198-A Flotation process for enriching titanium from vanadium titano-magnetite tailings 西昌学院 2024-04-30 CN disclosed
CN-117943198-A Flotation process for enriching titanium from vanadium titano-magnetite tailings 西昌学院 2024-04-30 CN disclosed